| CAS Number | 937689-61-7 |
| Catalog Number | AG01ABEY |
| Chemical Name | 2-[2-(4-methylpiperazin-1-yl)ethoxy]aniline |
| IUPAC Name | 2-[2-(4-methylpiperazin-1-yl)ethoxy]aniline |
| InChI | InChI=1S/C13H21N3O/c1-15-6-8-16(9-7-15)10-11-17-13-5-3-2-4-12(13)14/h2-5H,6-11,14H2,1H3 |
| InChI Key | YSKLCWCAHUOZGG-UHFFFAOYSA-N |
| MDL Number | MFCD09035168 |
| Molecular Formula | C13H21N3O |
| Molecular Weight | 235.3253 |
| SMILES | CN1CCN(CCOC2=C(N)C=CC=C2)CC1 |
| Synonyms | 2-[2-(4-methylpiperazin-1-yl)ethoxy]aniline,
937689-61-7,
AC1Q3ZYI,
YSKLCWCAHUOZGG-UHFFFAOYSA-N,
ZINC23291731,
AKOS004123374,
MCULE-6807857519,
NE49502,
EN300-71431,
2-(2-(4-methylpiperazin-1-yl)ethoxy) aniline,
2-[2-(4-methyl-1-piperazinyl)ethoxy]phenylamine,
AT-057/43468416,
Z234897519,
2-[2-(4-methylpiperazin-1-yl)ethoxy]aniline, AldrichCPR,
2-(2-(4-methylpiperazin-1-yl)ethoxy)aniline,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.168g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.331g/mol |
| Monoisotopic Mass | 235.168g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 41.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number